N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H31FN6O2Si — CID 71280153

IUPACN-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4ccc(F)cc43)nc12
InChIInChI=1S/C24H31FN6O2Si/c1-24(2,3)29-23(32)18-14-30(15-33-9-10-34(4,5)6)22-21(18)28-20(13-26-22)31-19-11-17(25)8-7-16(19)12-27-31/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32)
InChIKeyIMCBHHDXOWHGNX-UHFFFAOYSA-N
MW482.64 g/mol
LogP4.75
Rot. Bonds7

About N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280153) has the molecular formula C24H31FN6O2Si and a molecular weight of 482.64 g/mol. Its IUPAC name is N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280153
Molecular FormulaC24H31FN6O2Si
Molecular Weight482.64 g/mol
Exact Mass482.23
IUPAC NameN-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4ccc(F)cc43)nc12
InChIInChI=1S/C24H31FN6O2Si/c1-24(2,3)29-23(32)18-14-30(15-33-9-10-34(4,5)6)22-21(18)28-20(13-26-22)31-19-11-17(25)8-7-16(19)12-27-31/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32)
InChIKeyIMCBHHDXOWHGNX-UHFFFAOYSA-N
XLogP4.75
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280153) is N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4ccc(F)cc43)nc12.
What is the InChIKey of N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IMCBHHDXOWHGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2Si/c1-24(2,3)29-23(32)18-14-30(15-33-9-10-34(4,5)6)22-21(18)28-20(13-26-22)31-19-11-17(25)8-7-16(19)12-27-31/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32).
What are the key properties of N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 482.64 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-fluoroindazol-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).